1-[2-(4-bromophenoxy)ethyl]-3-propylpiperazine-2,5-dione

C15H19BrN2O3 — CID 64879037

IUPAC1-[2-(4-bromophenoxy)ethyl]-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(CCOc2ccc(Br)cc2)C1=O
InChIInChI=1S/C15H19BrN2O3/c1-2-3-13-15(20)18(10-14(19)17-13)8-9-21-12-6-4-11(16)5-7-12/h4-7,13H,2-3,8-10H2,1H3,(H,17,19)
InChIKeyDGXQONHQMDIOLZ-UHFFFAOYSA-N
MW355.23 g/mol
LogP1.96
Rot. Bonds6

About 1-[2-(4-bromophenoxy)ethyl]-3-propylpiperazine-2,5-dione

1-[2-(4-bromophenoxy)ethyl]-3-propylpiperazine-2,5-dione (PubChem CID 64879037) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is 1-[2-(4-bromophenoxy)ethyl]-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[2-(4-bromophenoxy)ethyl]-3-propylpiperazine-2,5-dione
PubChem CID64879037
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name1-[2-(4-bromophenoxy)ethyl]-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(CCOc2ccc(Br)cc2)C1=O
InChIInChI=1S/C15H19BrN2O3/c1-2-3-13-15(20)18(10-14(19)17-13)8-9-21-12-6-4-11(16)5-7-12/h4-7,13H,2-3,8-10H2,1H3,(H,17,19)
InChIKeyDGXQONHQMDIOLZ-UHFFFAOYSA-N
XLogP1.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-bromophenoxy)ethyl]-3-methylpiperazine-2,5-dione
CID 64878616
1-[2-(2-methoxyethoxy)ethyl]-3-propylpiperazine-2,5-dione
CID 64880934
3-(2-methylpropyl)-1-(2-phenoxyethyl)piperazine-2,5-dione
CID 64878643
1-butyl-3-propylpiperazine-2,5-dione
CID 64879982
1-(3-methoxypropyl)-3-propylpiperazine-2,5-dione
CID 64879793
3-propyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione
CID 64880362
1-[(2-methylpyrimidin-4-yl)methyl]-3-propylpiperazine-2,5-dione
CID 64967691
1-[2-(4-bromophenoxy)ethyl]-4-methylpyrrolidin-2-one
CID 63101038
1-[(4-chlorophenyl)methyl]-3-propylpiperazine-2,5-dione
CID 64880938
1-[(3-bromo-4-methoxyphenyl)methyl]-3-propylpiperazine-2,5-dione
CID 64879602
1-(5-bromo-2-fluorophenyl)-3-propylpiperazine-2,5-dione
CID 64961022
1-[2-(4-bromophenoxy)ethyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79180667

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenoxy)ethyl]-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-[2-(4-bromophenoxy)ethyl]-3-propylpiperazine-2,5-dione (CID 64879037) is 1-[2-(4-bromophenoxy)ethyl]-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-[2-(4-bromophenoxy)ethyl]-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-[2-(4-bromophenoxy)ethyl]-3-propylpiperazine-2,5-dione is CCCC1NC(=O)CN(CCOc2ccc(Br)cc2)C1=O.
What is the InChIKey of 1-[2-(4-bromophenoxy)ethyl]-3-propylpiperazine-2,5-dione?
The InChIKey is DGXQONHQMDIOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-2-3-13-15(20)18(10-14(19)17-13)8-9-21-12-6-4-11(16)5-7-12/h4-7,13H,2-3,8-10H2,1H3,(H,17,19).
What are the key properties of 1-[2-(4-bromophenoxy)ethyl]-3-propylpiperazine-2,5-dione?
1-[2-(4-bromophenoxy)ethyl]-3-propylpiperazine-2,5-dione has a molecular weight of 355.23 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenoxy)ethyl]-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64879037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).